Investigation with low-energy electron diffraction of the adsorbate-induced metal relaxations in the Cu(100)-( 2×2 )-S surface structure

A low-energy electron diffraction (LEED) crystallographic analysis has been undertaken to assess the lateral and vertical relaxations for the Cu(100)-(2×{}2)-S surface structure. The motivation was provided by the recent report with angle-resolved photoemission extended fine structure (ARPEFS) by Bahr et al. [Phys. Rev. B 35, 3773 (1987)]. It was found that the surface structure given by ARPEFS does not account well for the measured LEED intensity curves, although these curves can be reasonably accommodated by a structural model with components of relaxation in some opposite senses to those previously reported.